(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methyl-4-quinazolinyl)thio]-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methylquinazolin-4-yl)thio]butyronitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C(=C3N(C4=CC=CC=C4S3)C)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)/C(=C\3/N(C4=CC=CC=C4S3)C)/C#N

InChI

InChI=1S/C21H16N4OS2/c1-13-23-16-8-4-3-7-14(16)20(24-13)27-12-18(26)15(11-22)21-25(2)17-9-5-6-10-19(17)28-21/h3-10H,12H2,1-2H3/b21-15-